N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide

C15H13F2N3O2 — CID 4606175

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F2N3O2/c1-10(11-4-6-13(7-5-11)22-15(16)17)19-20-14(21)12-3-2-8-18-9-12/h2-9,15H,1H3,(H,20,21)
InChIKeyUOETUAUTSAZVQR-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.84
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide

N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide (PubChem CID 4606175) has the molecular formula C15H13F2N3O2 and a molecular weight of 305.28 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
PubChem CID4606175
Molecular FormulaC15H13F2N3O2
Molecular Weight305.28 g/mol
Exact Mass305.10
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F2N3O2/c1-10(11-4-6-13(7-5-11)22-15(16)17)19-20-14(21)12-3-2-8-18-9-12/h2-9,15H,1H3,(H,20,21)
InChIKeyUOETUAUTSAZVQR-UHFFFAOYSA-N
XLogP2.84
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
N-[(Z)-1-[4-[[(2S,3R)-3-[4-[(Z)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]phenoxy]-1,4-dioxan-2-yl]oxy]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 92534136
N-[(Z)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 9059720
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6091313
methyl N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 6113890
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 5179014

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide (CID 4606175) is N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
The InChIKey is UOETUAUTSAZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2/c1-10(11-4-6-13(7-5-11)22-15(16)17)19-20-14(21)12-3-2-8-18-9-12/h2-9,15H,1H3,(H,20,21).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide?
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide has a molecular weight of 305.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4606175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).